General Information of the Compound
| Compound ID |
CP0513366
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| Compound Name |
2-[(2,6-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole
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| Structure |
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| Formula |
C17H12F2N2O3S
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| Molecular Weight |
362.357
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| Canonical SMILES |
Fc1cccc(F)c1CSc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C17H12F2N2O3S/c18-12-2-1-3-13(19)11(12)9-25-17-21-20-16(24-17)10-4-5-14-15(8-10)23-7-6-22-14/h1-5,8H,6-7,9H2
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| InChIKey |
BOMKHFYHDHBMFU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound